N-[(4-chloro-1-methylpyrazol-5-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine

C14H15ClN4S — CID 114659039

IUPACN-[(4-chloro-1-methylpyrazol-5-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
SMILESCCNC(c1cnc2ccsc2c1)c1c(Cl)cnn1C
InChIInChI=1S/C14H15ClN4S/c1-3-16-13(14-10(15)8-18-19(14)2)9-6-12-11(17-7-9)4-5-20-12/h4-8,13,16H,3H2,1-2H3
InChIKeyWWUOVCMHDUOETD-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.38
Rot. Bonds4

About N-[(4-chloro-1-methylpyrazol-5-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine

N-[(4-chloro-1-methylpyrazol-5-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine (PubChem CID 114659039) has the molecular formula C14H15ClN4S and a molecular weight of 306.82 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazol-5-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrazol-5-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
PubChem CID114659039
Molecular FormulaC14H15ClN4S
Molecular Weight306.82 g/mol
Exact Mass306.07
IUPAC NameN-[(4-chloro-1-methylpyrazol-5-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
SMILESCCNC(c1cnc2ccsc2c1)c1c(Cl)cnn1C
InChIInChI=1S/C14H15ClN4S/c1-3-16-13(14-10(15)8-18-19(14)2)9-6-12-11(17-7-9)4-5-20-12/h4-8,13,16H,3H2,1-2H3
InChIKeyWWUOVCMHDUOETD-UHFFFAOYSA-N
XLogP3.38
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-chloro-1-methylpyrazol-5-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chloro-1-methylpyrazol-5-yl)-(4-ethoxyphenyl)methyl]ethanamine
CID 105046393
N-[(3-bromothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
CID 81143315
N-[(2,5-dimethylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
CID 81153511
N-[(4-chloro-1-methylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 114648823
N-[(5-fluoro-3-pyridinyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
CID 81144068
N-[(3-chlorothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
CID 107360052
N-ethyl-3-methyl-1-thieno[3,2-b]pyridin-6-ylbutan-1-amine
CID 81143603
[(4-chloro-1-methylpyrazol-5-yl)-(3-ethylthiophen-2-yl)methyl]hydrazine
CID 105338782
3-[ethylamino(thieno[3,2-b]pyridin-6-yl)methyl]pyridin-4-amine
CID 81143213
N-methyl-1-(2-propylpyrazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81144255
(1R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 97108445
N-[(4-chloro-1-methylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 105046319

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine?
The IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine (CID 114659039) is N-[(4-chloro-1-methylpyrazol-5-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-1-methylpyrazol-5-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine?
The canonical SMILES for N-[(4-chloro-1-methylpyrazol-5-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine is CCNC(c1cnc2ccsc2c1)c1c(Cl)cnn1C.
What is the InChIKey of N-[(4-chloro-1-methylpyrazol-5-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine?
The InChIKey is WWUOVCMHDUOETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4S/c1-3-16-13(14-10(15)8-18-19(14)2)9-6-12-11(17-7-9)4-5-20-12/h4-8,13,16H,3H2,1-2H3.
What are the key properties of N-[(4-chloro-1-methylpyrazol-5-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine?
N-[(4-chloro-1-methylpyrazol-5-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine has a molecular weight of 306.82 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylpyrazol-5-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine is sourced from PubChem (CID 114659039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).